N-(2-methyl-3-phenylhexyl)cyclohexanecarboxamide

C20H31NO — CID 90743751

IUPACN-(2-methyl-3-phenylhexyl)cyclohexanecarboxamide
SMILESCCCC(c1ccccc1)C(C)CNC(=O)C1CCCCC1
InChIInChI=1S/C20H31NO/c1-3-10-19(17-11-6-4-7-12-17)16(2)15-21-20(22)18-13-8-5-9-14-18/h4,6-7,11-12,16,18-19H,3,5,8-10,13-15H2,1-2H3,(H,21,22)
InChIKeyKRBLVTIYJSLDRM-UHFFFAOYSA-N
MW301.47 g/mol
LogP4.90
Rot. Bonds7

About N-(2-methyl-3-phenylhexyl)cyclohexanecarboxamide

N-(2-methyl-3-phenylhexyl)cyclohexanecarboxamide (PubChem CID 90743751) has the molecular formula C20H31NO and a molecular weight of 301.47 g/mol. Its IUPAC name is N-(2-methyl-3-phenylhexyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2-methyl-3-phenylhexyl)cyclohexanecarboxamide
PubChem CID90743751
Molecular FormulaC20H31NO
Molecular Weight301.47 g/mol
Exact Mass301.24
IUPAC NameN-(2-methyl-3-phenylhexyl)cyclohexanecarboxamide
SMILESCCCC(c1ccccc1)C(C)CNC(=O)C1CCCCC1
InChIInChI=1S/C20H31NO/c1-3-10-19(17-11-6-4-7-12-17)16(2)15-21-20(22)18-13-8-5-9-14-18/h4,6-7,11-12,16,18-19H,3,5,8-10,13-15H2,1-2H3,(H,21,22)
InChIKeyKRBLVTIYJSLDRM-UHFFFAOYSA-N
XLogP4.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.47
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bromo-2-phenylethyl)cyclohexanecarboxamide
CID 113274135
N-[2-(dimethylamino)-2-phenylethyl]cyclohexanecarboxamide
CID 45001445
N-[(2S)-2-hydroxy-2-phenylethyl]cyclopentanecarboxamide
CID 93032915
N-[(2S)-2-phenylbutyl]cyclobutanecarboxamide
CID 39952483
N-[(2R)-2-hydroxy-3-[(1R)-1-phenylethoxy]propyl]cyclopentanecarboxamide
CID 94800865
N-[(2R)-2-(diethylamino)-2-phenylethyl]cyclobutanecarboxamide
CID 51922888
(3R)-1-N,1-N-diethyl-3-N-[(2R)-2-phenylpropyl]piperidine-1,3-dicarboxamide
CID 51941120
N-[(2R)-2-(benzenesulfonyl)-2-phenylethyl]cyclohexanecarboxamide
CID 9184612
N-(3-methyl-2-phenylbutyl)piperidine-3-carboxamide
CID 119294119
(3R)-N-[(2R)-2-phenylpropyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 98679681
N-(2-methylpropyl)cyclooctanecarboxamide
CID 65022959
N-[2-(benzhydrylamino)-2-oxoethyl]cyclohexanecarboxamide
CID 18104757

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-phenylhexyl)cyclohexanecarboxamide?
The IUPAC name of N-(2-methyl-3-phenylhexyl)cyclohexanecarboxamide (CID 90743751) is N-(2-methyl-3-phenylhexyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(2-methyl-3-phenylhexyl)cyclohexanecarboxamide?
The canonical SMILES for N-(2-methyl-3-phenylhexyl)cyclohexanecarboxamide is CCCC(c1ccccc1)C(C)CNC(=O)C1CCCCC1.
What is the InChIKey of N-(2-methyl-3-phenylhexyl)cyclohexanecarboxamide?
The InChIKey is KRBLVTIYJSLDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO/c1-3-10-19(17-11-6-4-7-12-17)16(2)15-21-20(22)18-13-8-5-9-14-18/h4,6-7,11-12,16,18-19H,3,5,8-10,13-15H2,1-2H3,(H,21,22).
What are the key properties of N-(2-methyl-3-phenylhexyl)cyclohexanecarboxamide?
N-(2-methyl-3-phenylhexyl)cyclohexanecarboxamide has a molecular weight of 301.47 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-phenylhexyl)cyclohexanecarboxamide is sourced from PubChem (CID 90743751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).